(Q105253108)

English

(3S,3aR,4S,6S,7S,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

elemane sesquiterpenoid

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mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,3aR,4S,6S,7S,7aS)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=C1OC2C(C(=C)C)C(C=C)(C)CC(O)C2C1C

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isomeric SMILES

C=C[C@]1(C)C[C@H](O)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)C

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found in taxon

Achillea atrata

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stated in

Flavones and sesquiterpene lactones from Achillea atrata subsp. multifida: antimicrobial activity

Achillea multifida

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stated in

Flavones and sesquiterpene lactones from Achillea atrata subsp. multifida: antimicrobial activity

Achillea clusiana

1 reference

stated in

Flavones and sesquiterpene lactones from Achillea atrata subsp. multifida: antimicrobial activity

Identifiers

InChI

InChI=1S/C15H22O3/c1-6-15(5)7-10(16)11-9(4)14(17)18-13(11)12(15)8(2)3/h6,9-13,16H,1-2,7H2,3-5H3/t9-,10-,11+,12+,13-,15+/m0/s1

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InChIKey

SHOVXNQCIIOQBN-JSXSYOHWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SHOVXNQCIIOQBN-JSXSYOHWSA-N

1 reference

(Q105253108)

(3S,3aR,4S,6S,7S,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

Statements

Identifiers

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